BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
DESCRIPTION=The ultimate molecular dynamics simulation package
EAPI=8
HOMEPAGE=https://www.gromacs.org/
INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils
IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <sci-chemistry/dssp-4
REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
RESTRICT=!test? ( test )
SLOT=0/2022.4
SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.4.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.4.tar.gz )
_eclasses_=toolchain-funcs	14a8ae365191b518fad51caad7a08f3e	multilib	d1408425c7c4a7669b9b17735404b693	bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	flag-o-matic	514815b1cc0dd4aeac177c2e812b3b1a	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	76050953ad5b70d7e09a6ca55558db92	xdg-utils	baea6080dd821f5562d715887954c9d3	cmake	7fb5980de96325cbab639f5b2187357c	cuda	13d76baf0dc95e560610c6b7dfa79db4	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	multibuild	bddcb51b74f4a76724ff7cf8e7388869	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	python-single-r1	75118e916668a74c660a13b0ecb22562	distutils-r1	761304ceeb845986696f9a65cf4b6f01	readme.gentoo-r1	204091a2cde6179cd9d3db26d09412d3
_md5_=cdd826a94c74837171c33e5212e21e04